SQLite format 3@ .  ? ^ B 8Ed\%/sindexnumber_indexnumber_key_valuesCREATE INDEX number_index ON number_key_values(key)T!+kindextext_indextext_key_valuesCREATE INDEX text_index ON text_key_values(key)<Sindexkey_indexkeysCREATE INDEX key_index ON keys(key)H ']indexspecies_indexspeciesCREATE INDEX species_index ON species(Z)W -uindexcalculator_indexsystems CREATE INDEX calculator_index ON systems(calculator)Q )mindexusername_indexsystems CREATE INDEX username_index ON systems(username)H #aindexctime_indexsystems CREATE INDEX ctime_index ON systems(ctime)T +qindexunique_id_indexsystems CREATE INDEX unique_id_index ON systems(unique_id)[##tableinformationinformation CREATE TABLE information ( name TEXT, value TEXT)*//tablenumber_key_valuesnumber_key_valuesCREATE TABLE number_key_values ( key TEXT, value REAL, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems a'M<@Zd@Gɫs @񘁊@ 3m@#~j@Ȱ7@ T?_5!@IL@]C@ @oe1@Af?wg$@E>@S @eS>'@q?w$@Y jƄ@V|9@vasp{}h6^h6^`.?h^?Bus?$P)Wx?YE2: vR?kc섗?YԷh?ӄ'c|x8Mp]? ܡ^D1u&WMa?3O)ى]¡xx1`U,~6 \?-uד?Bus?kЗ?k}ЖsYEPC?FYq>?nǺv?8Mp]?/C?؀q}&WMa?O۠ͮ{+r?1`U,~R@r{$B#ظ?]?we?؞Yv?Avs"~ f@a+?=?j?6;Nёa0eTqs*YSȕz\&r?6pd?@OI6ُ@dȱa +?G:?RG.?TWyaxPkwlǜgK6>?:*h?[[%X\?+POb)@̘5yhF =b?<Y?̿gҦ٬? ?8, ?i?5f+~7)r9?[;藿}"OUZ n?s?y!t?X zR&5?5o=^H<;k?`$?7e?8, ?-3{"adsorption_surface_energy": -171.516, "adsorption_atomic_energy": -0.276, "absorption_structural_energy": -193.715, "absorption_energy": -21.924, "layer_distance": 1.163, "delta_charge_bader": 0.062, "dipole_bader": 0.345, "delta_charge_hirf": 1.282, "dipole_hirf": 7.158, "index": "(111)", "absorped_atom": "B", "absorped_pos": "h1"}{}1?hiH?g~@5b#@ 7Kƨ #M d81a5be9ee2038f5df2a2539392d42c4   systems   0 {dS=-# % absorped_pos ' absorped_atom  index # dipole_hirf/ delta_charge_hirf% dipole_bader1 delta_charge_bader) layer_distance/ absorption_energyE absorption_structural_energy= adsorption_atomic_energy? adsorption_surface_energy % absorped_posh1' absorped_atomB index(111) jN. # dipole_hirf@o/ delta_charge_hirf?nP% dipole_bader?zG1 delta_charge_bader?vȴ9X) layer_distance?S/ absorption_energy5C(E absorption_structural_energyh6G{$= adsorption_atomic_energyѩlD%? adsorption_surface_energyepn  version9 #M d81a5be9ee2038f5df2a2539392d42c4   @5 *a  hecc  vasp   e>T.$|%absorped_pos 'absorped_atom index #dipole_hirf /delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance/absorption_energy Eabsorption_structural_energy=adsorption_atomic_energy? adsorption_surface_energy %absorped_pos'absorped_atom index .e>T.|#dipole_hirf /delta_charge_hirf%dipole_bader1delta_charge_bader)layer_distance/absorption_energy Eabsorption_structural_energy=adsorption_atomic_energy? adsorption_surface_energy